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Citation: Tao Peng, Wang Ren-Xiao, Lai Lu-Hua. Calculation of Peptide's Partition Coefficients by Amino Acid Addition Model[J]. Acta Physico-Chimica Sinica, ;1999, 15(05): 449-453. doi: 10.3866/PKU.WHXB19990512 shu

Calculation of Peptide's Partition Coefficients by Amino Acid Addition Model

1.
Institute of Physical Chemistry,Peking University,Beijing 100871

Received Date: 1 July 1998
Available Online: 15 May 1999

Based on amino acid addition model, a set of hydrophobicity contributions of amino acids was obtained from the multivariate linear regression analysis of peptides' octanol/water partition coefficients. Multivariate regression was performed on a training set of 219 peptides including dipeptides to pentapeptides which we compose 21 natural amino acids. The correlation coefficients for the whole set fitting are 0. 978 and 0- 974, for log P and log D respectively. In addition, a new test method -evolution test-for regression analysis was discussed. The result of evolution test for amino acid addition model shows the advantage of this new test method.
- Partition coefficient,
- Hydrophobicity,
- Amino acid addition model,
- Peptides,
- Evolution test
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